pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	0	-1	COCC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1	COCC(=O)OCCCS(=O)(=O)c1ccc(S([NH-])(=O)=O)s1	mol20951	COCC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1